NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.7303 8.3033 116.3225 55.2248 29.7050 173.5741 5 K 3.6006 8.2567 119.4430 55.9669 32.0361 174.7514 6 G 4.0992 7.7623 106.6775 43.6282 0.0000 172.1561 7 D 5.3148 8.6061 119.2765 53.5330 42.5841 176.2599 8 V 5.6447 8.8928 123.7709 60.4224 35.5730 173.0180 *10 I 4.1324 8.2012 118.6894 61.2499 39.4247 175.7869 11 V 4.6746 8.6574 130.7979 61.6275 33.0869 173.7541 12 D 4.9983 8.7053 127.4245 52.9943 44.4612 176.0067 13 D 4.6961 8.4868 124.2435 54.7712 40.0691 176.2746 14 D 4.6011 8.6422 120.8137 52.8888 41.9768 176.2469 15 A 3.9818 8.6038 129.8168 55.8668 18.5109 178.8103 16 H 4.1556 8.4652 114.5448 58.6703 28.6043 178.3156 17 V 3.5597 7.7121 119.7786 66.0505 31.4622 178.0775 18 R 3.9214 7.9847 117.7775 59.3233 29.8227 179.1288 19 I 3.6706 7.9676 119.3279 64.2854 37.0712 178.3411 20 A 3.9740 7.8594 121.1831 55.2071 18.1903 179.8311 21 V 3.5954 8.0976 117.0163 66.0203 31.5576 178.2144 22 K 3.9458 8.2542 118.3101 59.8925 31.9624 179.1476 23 T 3.8881 8.1229 115.8806 66.8564 68.4087 176.5813 24 I 3.7389 7.9760 121.4119 64.6666 37.2111 178.6580 25 L 4.3126 8.2761 119.5544 57.4389 41.5560 179.4964 26 S 4.4943 8.3548 115.0777 60.9373 62.1258 175.8464 27 D 4.4326 8.0424 120.5173 57.1098 40.6529 177.9761 28 A 4.3321 7.7201 118.9468 52.4508 18.9645 177.9496 29 G 3.8986 7.8692 104.9754 44.8967 0.0000 173.7405 30 F 5.0440 8.6111 119.0460 56.8417 41.5798 174.2188 31 H 5.0283 9.1924 117.9272 54.5933 30.4749 174.3511 32 I 5.2905 8.5386 123.6597 59.4403 39.9201 174.8378 33 I 4.7991 8.8056 120.1079 59.0649 40.3671 174.9011 34 S 5.0583 8.5001 116.2189 56.6328 66.2168 173.0433 35 A 4.9468 8.9665 123.2373 50.3538 22.3111 176.2257 36 D 4.7789 9.6633 120.2830 52.3521 40.2603 175.8842 37 S 4.7805 7.2083 114.1052 56.8032 66.4343 176.5202 38 G 3.7586 7.8110 110.2110 47.1997 0.0000 176.0609 39 G 3.6438 8.0190 107.6761 47.7999 0.0000 175.4326 40 Q 4.1103 8.1660 122.2357 58.6472 28.9463 177.6348 41 C 3.9350 8.1565 119.9615 62.5106 31.5945 175.6664 42 I 3.6412 7.6947 121.1230 64.5174 36.4956 177.8846 43 D 4.3979 7.8352 118.2144 57.7189 40.8680 178.9317 44 L 4.1275 8.1843 119.4173 57.7407 41.5974 179.5935 45 L 4.0884 8.1536 119.0782 57.5825 41.2846 179.6487 46 K 4.0953 7.9784 117.8019 59.0463 32.0275 178.9477 47 K 4.3555 7.5758 117.5950 56.2137 32.0858 177.6275 48 G 3.9987 8.9090 107.7454 46.1433 0.0000 173.0054 49 F 4.7954 8.2481 125.8973 56.7440 42.4954 173.2132 50 S 4.4784 8.5275 121.1558 55.1135 65.7619 174.2759 51 G 3.5447 7.1021 113.9353 45.6325 0.0000 170.5927 52 V 4.6690 7.8965 121.9809 61.8223 33.4439 176.4369 53 V 4.3928 8.9212 128.6054 61.2815 33.4402 174.5670 54 L 4.7319 8.4090 129.2205 53.7096 42.7442 175.6296 55 L 4.7713 8.4294 127.9902 52.6866 43.5440 175.6459 56 D 4.4841 8.7470 127.8763 53.7098 41.8299 177.9097 57 I 3.7259 8.3507 131.1225 60.2686 36.2162 174.0158 *60 P 4.3068 0.0000 0.0000 63.7905 32.4167 176.9751 61 G 3.8596 8.6736 108.7246 45.8924 0.0000 172.5522 *63 D 4.4301 7.6496 117.8923 52.6867 40.7267 176.0502 64 G 3.4329 8.5831 105.1484 47.8087 0.0000 175.9656 65 W 4.3825 7.8808 120.4980 59.8406 29.2016 178.0280 66 D 4.4557 8.9616 119.2518 57.8338 40.0747 179.2414 67 T 3.8384 8.0732 115.9979 66.7103 68.4131 176.7398 68 I 3.6893 7.9079 121.7828 64.3611 37.0474 178.3862 69 R 3.8540 8.3399 119.3839 59.4759 29.9022 178.4455 70 A 3.9884 8.2788 120.6784 55.0481 18.2443 179.6062 71 I 3.5889 8.0033 118.7272 64.5631 37.2352 178.6362 72 L 3.8153 7.9665 119.7703 57.9482 41.2208 179.2711 73 D 4.4072 8.2009 117.9175 56.9848 40.8047 177.7178 74 N 4.6748 7.9004 113.9588 52.0279 39.0905 174.9663 75 S 3.8309 7.8467 115.3873 60.0669 60.8694 172.6133 76 L 4.6332 8.0946 117.2639 54.5518 41.9759 177.7353 77 E 4.2220 7.8877 117.9951 57.7435 30.2762 176.6426 78 Q 4.0999 7.8936 119.6455 57.1383 29.5631 176.2286 79 G 3.9033 9.1000 109.9200 45.4740 0.0000 172.3221 80 I 5.2704 7.2848 110.8352 58.6896 41.0217 174.6680 81 A 4.8405 8.8059 124.5332 50.3840 21.8674 175.0568 82 I 4.5784 8.3571 123.7739 60.3365 39.1658 175.2736 83 V 4.2916 8.1107 129.3473 60.0857 35.0985 173.3996 *85 L 4.5045 8.2601 118.7788 55.4654 43.2617 176.0665 86 T 5.0775 8.8293 119.5693 60.7522 71.3539 171.7798 87 A 4.8171 8.2178 121.0719 50.8459 22.2501 177.8248 88 K 3.8759 8.8760 118.9035 59.6433 32.1227 178.2159 89 N 4.6108 8.0521 112.5868 52.7939 37.7615 175.0079 90 A 4.1634 7.5786 122.8949 51.6858 18.9834 176.0566 91 P 4.5289 0.0000 0.0000 62.6420 32.2368 176.0987 92 D 4.4847 8.3915 119.7579 53.4126 41.7227 176.3204 93 A 3.4927 7.0827 125.1526 51.9593 18.8980 178.0805 94 K 4.1588 8.1229 122.6349 56.6851 33.0833 177.3785 *96 I 3.6751 7.6109 118.4971 63.6532 38.5184 176.5575 97 G 4.0450 8.8078 113.2144 45.0189 0.0000 175.0877 98 L 4.2656 7.8529 119.9882 57.6863 42.0993 179.2636 99 Q 4.4155 8.2313 117.2548 58.5822 28.8625 178.1513 100 E 3.8472 8.0983 118.2880 58.8395 29.6069 176.9354 101 Y 4.3279 8.0226 113.9740 57.3390 38.1645 174.9614 102 V 4.2925 7.5437 120.8322 61.1973 32.7741 176.1301 103 V 3.5637 8.1650 121.2504 63.2465 31.7749 175.0952 104 D 4.3891 6.5182 117.0724 53.9049 44.3913 173.7775 105 Y 4.7124 8.6883 118.0458 55.9476 41.6236 175.0684 106 I 4.5424 8.1500 121.7781 59.4879 41.2417 174.0856 107 T 4.8416 8.5996 126.1053 62.8879 69.3345 174.6540 108 K 4.5600 9.1896 127.2540 55.3514 32.9035 175.4947 109 P 4.3795 0.0000 0.0000 62.3010 32.2944 175.3897 110 F 5.0873 7.5646 114.2600 54.4930 41.2876 174.6462 111 D 4.8218 8.4720 121.3499 52.5880 42.1432 177.1264 112 N 4.4562 8.6814 118.0465 56.7320 38.5014 177.3080 113 E 4.0249 8.2139 120.1793 59.1094 29.7918 178.1573 114 D 4.2961 8.4073 117.8411 57.0625 41.3896 177.6332 115 L 3.7414 7.8526 120.4211 58.3277 42.0353 179.1382 116 I 3.7535 7.8547 119.5028 64.2632 37.0896 177.8965 117 E 3.9584 8.4598 120.4497 59.4413 29.4159 179.1851 118 K 4.1399 8.0942 118.3069 59.7567 31.9369 179.5095 119 T 3.8703 7.7657 114.8543 66.9602 68.4018 176.5055 120 T 4.3303 8.0068 116.4727 66.6183 68.3463 176.1798 121 F 4.2852 8.3014 122.4676 61.0657 39.9582 176.8806 122 F 4.3342 8.3201 117.9303 57.4371 38.2978 177.6624 *124 G 3.7811 7.9265 109.0684 45.6263 0.0000 175.1410 125 F 4.0869 7.7470 121.3048 61.0373 39.0828 177.4210 126 V 3.2726 7.5361 116.4392 65.9849 31.4389 177.7177 127 R 3.9507 7.7618 116.6910 59.2374 30.0203 177.8528 128 N 4.4067 8.0822 115.7834 55.9335 38.7553 175.6811 129 Q 4.1913 7.6132 122.3894 55.8950 29.1107 175.4667 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 H 8.30 4.73 0.00 3.44 3.40 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.26 3.60 0.00 0.79 1.08 0.00 1.42 0.00 0.00 1.39 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.20 1.09 7.81 6 G 7.76 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.61 5.31 0.00 2.54 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.89 5.64 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.78 0.00 0.00 *10 I 8.20 4.13 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.34 0.93 0.00 0.00 11 V 8.66 4.67 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.81 0.00 0.00 12 D 8.71 5.00 0.00 2.74 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.49 4.70 0.00 2.69 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.64 4.60 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.60 3.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.47 4.16 0.00 3.39 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.71 3.56 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.91 0.00 0.00 18 R 7.98 3.92 0.00 2.02 1.96 0.00 3.16 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 19 I 7.97 3.67 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 0.92 0.00 0.00 20 A 7.86 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.10 3.60 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.11 0.00 0.00 22 K 8.25 3.95 0.00 2.08 1.88 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.65 7.81 23 T 8.12 3.89 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 24 I 7.98 3.74 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 1.00 0.00 0.00 25 L 8.28 4.31 0.00 1.83 1.82 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.35 4.49 0.00 4.02 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.04 4.43 0.00 2.94 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.72 4.33 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.87 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.61 5.04 0.00 3.17 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 9.19 5.03 0.00 3.29 3.23 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.54 5.29 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.59 0.94 0.00 0.00 33 I 8.81 4.80 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.52 0.98 0.00 0.00 34 S 8.50 5.06 0.00 3.81 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.97 4.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 9.66 4.78 0.00 2.86 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.21 4.78 0.00 3.98 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.81 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.02 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.17 4.11 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 41 C 8.16 3.93 0.00 2.95 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.69 3.64 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.01 0.89 0.00 0.00 43 D 7.84 4.40 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.18 4.13 0.00 1.72 1.59 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.15 4.09 0.00 1.81 1.75 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.98 4.10 0.00 1.93 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.64 7.81 47 K 7.58 4.36 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.68 7.81 48 G 8.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.25 4.80 0.00 2.96 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.53 4.48 0.00 3.66 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.10 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.90 4.67 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.09 0.00 0.00 53 V 8.92 4.39 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.95 0.00 0.00 54 L 8.41 4.73 0.00 1.59 1.54 0.86 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.43 4.77 0.00 1.45 1.38 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.75 4.48 0.00 2.90 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.35 3.73 1.84 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.57 0.83 0.00 0.00 *60 P 0.00 4.31 0.00 2.20 2.10 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 61 G 8.67 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *63 D 7.65 4.43 0.00 3.24 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.58 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 W 7.88 4.38 0.00 3.62 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.96 4.46 0.00 2.92 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.07 3.84 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 68 I 7.91 3.69 2.15 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 1.00 0.00 0.00 69 R 8.34 3.85 0.00 1.93 2.13 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 70 A 8.28 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.00 3.59 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.82 0.86 0.00 0.00 72 L 7.97 3.82 0.00 1.72 1.56 0.66 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.20 4.41 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 7.90 4.67 0.00 2.78 2.83 0.00 0.00 7.05 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.85 3.83 0.00 4.02 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.09 4.63 0.00 1.59 1.67 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 77 E 7.89 4.22 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.23 0.00 78 Q 7.89 4.10 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.20 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 79 G 9.10 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.28 5.27 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 1.16 0.00 0.00 81 A 8.81 4.84 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.36 4.58 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.70 0.76 0.00 0.00 83 V 8.11 4.29 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.66 0.00 0.00 *85 L 8.26 4.50 0.00 1.70 1.76 1.02 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.83 5.08 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 87 A 8.22 4.82 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.88 3.88 0.00 1.77 1.90 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.45 7.81 89 N 8.05 4.61 0.00 2.85 2.94 0.00 0.00 5.97 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.58 4.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.53 0.00 2.36 2.16 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 92 D 8.39 4.48 0.00 2.61 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.08 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.12 4.16 0.00 1.84 1.86 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.44 7.81 *96 I 7.61 3.68 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.49 0.87 0.00 0.00 97 G 8.81 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.85 4.27 0.00 1.79 2.11 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.23 4.42 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.87 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 100 E 8.10 3.85 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.81 0.00 101 Y 8.02 4.33 0.00 3.27 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.54 4.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.91 0.00 0.00 103 V 8.17 3.56 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 -0.13 0.00 0.00 104 D 6.52 4.39 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 8.69 4.71 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.15 4.54 1.68 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.64 0.45 0.00 0.00 107 T 8.60 4.84 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 108 K 9.19 4.56 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.61 7.81 109 P 0.00 4.38 0.00 2.11 1.97 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 110 F 7.56 5.09 0.00 3.04 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.47 4.82 0.00 2.95 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.68 4.46 0.00 2.81 2.99 0.00 0.00 6.48 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.21 4.02 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 114 D 8.41 4.30 0.00 3.04 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.85 3.74 0.00 1.94 1.98 0.79 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.85 3.75 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.62 1.05 0.00 0.00 117 E 8.46 3.96 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 118 K 8.09 4.14 0.00 1.88 2.03 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.66 7.81 119 T 7.77 3.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 120 T 8.01 4.33 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 121 F 8.30 4.29 0.00 3.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 F 8.32 4.33 0.00 3.21 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *124 G 7.93 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 7.75 4.09 0.00 2.94 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.54 3.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.04 0.00 0.00 127 R 7.76 3.95 0.00 1.78 1.89 0.00 3.27 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 128 N 8.08 4.41 0.00 2.69 2.79 0.00 0.00 7.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Q 7.61 4.19 0.00 1.56 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.55 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.